UCSF

ZINC57508546

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 5.21 -31.86 2 2 1 25 226.315 4
Mid Mid (pH 6-8) 2.75 5.91 -2.79 1 2 0 23 225.307 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )